SCHEMBL625015

SCHEMBL625015

C/C(=C\C#N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
PTGS1 P23219 4/20 0.51
PTGS2 P35354 2/20 0.51
NQO2 P16083 1/20 0.51
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KIF11 P52732 1/20 0.40
SRD5A2 P31213 1/20 0.39
DHODH Q02127 1/20 0.39
GSK3B P49841 2/20 0.38
PTPN1 P18031 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRB2 P47870 2/20 0.38
GABRB1 P18505 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL625016 1.00 NR4A1 (0.54) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL625017 1.00 NR4A1 (0.54) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL624734 0.80 CES2 (0.50) NQO2CES2SRD5A2MAOB
SCHEMBL624732 0.80 CES2 (0.50) NQO2CES2SRD5A2MAOB
SCHEMBL624733 0.80 CES2 (0.50) NQO2CES2SRD5A2MAOB
SCHEMBL16992767 0.79 MAPT (0.46) PTGS1PTGS2CES2CES1GABRA1
SCHEMBL16992768 0.79 MAPT (0.46) PTGS1PTGS2CES2CES1GABRA1
SCHEMBL16992765 0.79 MAPT (0.46) PTGS1PTGS2CES2CES1GABRA1
SCHEMBL27520453 0.78 NR4A1 (0.63) NR4A1NR4A2NR4A3PTGS1PTGS2
SCHEMBL14476277 0.78 NR4A1 (0.63) NR4A1NR4A2NR4A3PTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR4A1 371/4885NR4A2 317/4885NR4A3 114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.